[Wien] change in default scf cycles

[Ghosh SUDDHASATTWA]

Use the -i option in run_lapw command 

 

 

 

  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of AJAY SINGH
VERMA
Sent: Friday, November 04, 2011 11:36 AM
To: wien zeus
Subject: [Wien] change in default scf cycles

 

Dear Blaha sir and users
Will anyone tell me to increase the number of scf cycles as my system does
not get converged in 40 scf steps (default)
thanks 
a s verma

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111104/f988902c/attachment.htm>